[7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-(3-oxidanylpropyl)azanium

Systemtic Name: [7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-(3-oxidanylpropyl)azanium Openeye Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolyl]methyl-(3-hydroxypropyl)ammonium CAS Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolinyl]methyl-(3-hydroxypropyl)ammonium IUPAC Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl-(3-hydroxypropyl)azanium Traditional Name: [7-chloro-2-keto-1-(2-phenoxyethyl)-3-quinolyl]methyl-(3-hydroxypropyl)ammonium Formula: C21H24ClN2O3+ MolecularWeight: 387.87986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C3=C(C=CC(=C3)Cl)C=C(C2=O)C[NH2+]CCCO

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C3=C(C=CC(=C3)Cl)C=C(C2=O)C[NH2+]CCCO

InChI

InChI=1S/C21H23ClN2O3/c22-18-8-7-16-13-17(15-23-9-4-11-25)21(26)24(20(16)14-18)10-12-27-19-5-2-1-3-6-19/h1-3,5-8,13-14,23,25H,4,9-12,15H2/p+1